1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine

C15H22ClNS — CID 63115131

IUPAC1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine
SMILESCCC(N)C(SC1CCCC1)c1ccccc1Cl
InChIInChI=1S/C15H22ClNS/c1-2-14(17)15(18-11-7-3-4-8-11)12-9-5-6-10-13(12)16/h5-6,9-11,14-15H,2-4,7-8,17H2,1H3
InChIKeyIJLPDYRSGJRRQJ-UHFFFAOYSA-N
MW283.87 g/mol
LogP4.79
Rot. Bonds5

About 1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine

1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine (PubChem CID 63115131) has the molecular formula C15H22ClNS and a molecular weight of 283.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine
PubChem CID63115131
Molecular FormulaC15H22ClNS
Molecular Weight283.87 g/mol
Exact Mass283.12
IUPAC Name1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine
SMILESCCC(N)C(SC1CCCC1)c1ccccc1Cl
InChIInChI=1S/C15H22ClNS/c1-2-14(17)15(18-11-7-3-4-8-11)12-9-5-6-10-13(12)16/h5-6,9-11,14-15H,2-4,7-8,17H2,1H3
InChIKeyIJLPDYRSGJRRQJ-UHFFFAOYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.87
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-1-cyclohexylsulfanylbutan-2-amine
CID 63538085
2-(2-chlorophenyl)-2-cyclopentylsulfanylethanamine
CID 63115096
1-cyclopentylsulfanyl-1-(furan-2-yl)butan-2-amine
CID 63115035
1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine
CID 55022362
1-(2-bromophenyl)-1-(oxan-4-ylsulfanyl)butan-2-amine
CID 62997494
1-cyclohexylsulfanyl-1-(3-fluorophenyl)butan-2-amine
CID 55019688
1-(azocan-1-yl)-1-(2-chlorophenyl)butan-2-amine
CID 63406052
1-(3-bromophenyl)-1-cyclohexylsulfanylbutan-2-amine
CID 63538084
1-(2-fluorophenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine
CID 79325822
1-(2-chlorophenyl)-1-(2,5-dimethylphenyl)sulfanylbutan-2-amine
CID 63538245
1-(2-methoxyphenyl)-1-(oxetan-3-ylsulfanyl)butan-2-amine
CID 79325944
1-cyclohexylsulfanyl-1-(2-methylphenyl)propan-2-amine
CID 55019210

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine (CID 63115131) is 1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine is CCC(N)C(SC1CCCC1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine?
The InChIKey is IJLPDYRSGJRRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNS/c1-2-14(17)15(18-11-7-3-4-8-11)12-9-5-6-10-13(12)16/h5-6,9-11,14-15H,2-4,7-8,17H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine?
1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine has a molecular weight of 283.87 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine is sourced from PubChem (CID 63115131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).